UCSF

ZINC41977133

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 23 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.44 1.77 -13.19 2 7 0 83 317.393 5
Hi High (pH 8-9.5) 1.44 1.71 -42.34 1 7 -1 81 316.385 5
Lo Low (pH 4.5-6) 1.44 3.89 -48.4 3 7 1 84 318.401 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )